SCHEMBL17044875

SCHEMBL17044875

CC(C)(C)N(CCc1cncc(Cl)c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.39
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRM5 P41594 3/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
TBXAS1 P24557 1/20 0.32
SHMT1 P34896 1/20 0.32
TRPA1 O75762 1/20 0.32
LMNA P02545 1/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17044868 0.81 CYP11B1 (0.37) MEN1HTTKMT2AL3MBTL1LMNA
SCHEMBL2924337 0.74 ALDH1A1 (0.49) MEN1HTTKMT2AL3MBTL1LMNA
SCHEMBL19921435 0.74 CYP2C9 (0.49) MEN1HTTKMT2AL3MBTL1LMNA
SCHEMBL21247482 0.72 KMT2A (0.63) MEN1HTTKMT2AL3MBTL1LMNA
SCHEMBL4187297 0.70 MEN1 (0.39) MEN1HTTKMT2AL3MBTL1LMNA
SCHEMBL1027884 0.69 MEN1 (0.47) MEN1HTTKMT2AL3MBTL1LMNA
SCHEMBL1935310 0.69 MEN1 (0.47) MEN1HTTKMT2AL3MBTL1LMNA
SCHEMBL2881402 0.69 PPARA (0.49) MEN1HTTKMT2AL3MBTL1LMNA
SCHEMBL4147783 0.69 ESRRG (0.49) MEN1HTTKMT2AL3MBTL1LMNA
SCHEMBL15862690 0.69 NOS3 (0.32)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082819-B1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2020-06-17 EP disclosed
US-20150246890-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS LLC 2015-09-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150246890-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH PRKCQ, PRKCH, PRKCE HCAR2 1889/4885MEN1 3777/4885HTT 3053/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.